Predicting the UV–vis spectra of oxazine dyes
نویسندگان
چکیده
منابع مشابه
Predicting the UV–vis spectra of oxazine dyes
In the current work we have investigated the ability of time-dependent density functional theory (TD-DFT) to predict the absorption spectra of a series of oxazine dyes and the effect of solvent on the accuracy of these predictions. Based on the results of this study, it is clear that for the series of oxazine dyes an accurate prediction of the excitation energy requires the inclusion of solvent...
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ژورنال
عنوان ژورنال: Beilstein Journal of Organic Chemistry
سال: 2011
ISSN: 1860-5397
DOI: 10.3762/bjoc.7.56